DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL3924307_dpp4

Atoms: 270
Models: 9
Best Energy: -8.74 kcal/mol

Binding Energies:
  • Pose 1: -8.74 kcal/mol
  • Pose 2: -8.425 kcal/mol
  • Pose 3: -8.05 kcal/mol
  • Pose 4: -7.922 kcal/mol
  • Pose 5: -7.571 kcal/mol
  • Pose 6: -7.542 kcal/mol
  • Pose 7: -7.397 kcal/mol
  • Pose 8: -7.356 kcal/mol
  • Pose 9: -7.257 kcal/mol
CHEMBL3924307_dpp4
Energy Plot
RMSD Scatter Plot